2,2'-Bifuran

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  • Identifiers

    CAS number
    5905-00-0

    Molecular formula
    C8H6O2

    SMILES
    C1=COC(=C1)C2=CC=CO2

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Sweet 74.65%
    Burnt 70.51%
    Coffee 56.87%
    Ethereal 52.29%
    Nutty 45.46%
    Roasted 43.53%
    Spicy 42.54%
    Smoky 38.2%
    Caramellic 38.06%
    Musty 37.06%

    Scent© AI

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    5.2 (weak acid)

    Molecular weight
    134.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    193°C

    Flash point est.
    58.82 ˚C

  • Synonyms

    • 2,2'-Bifuran
    • 5905-00-0
    • 2-(furan-2-yl)furan
    • 2,2'-Bifuryl
    • bifuran
    • 2,2'-Difuryl
    • 2,2'-bis(Furan)
    • DTXSID50974505
    • 2,2 bifuran
    • SCHEMBL1799678
    • DTXCID301401931
    • FAA90500
    • DB-226758
    • EN300-349444

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 310.46
    methanol 420.26
    isopropanol 238.06
    water 11.2
    ethyl acetate 389.55
    n-propanol 235.48
    acetone 945.62
    n-butanol 198.77
    acetonitrile 599.08
    DMF 1230.72
    toluene 174.53
    isobutanol 201.33
    1,4-dioxane 887.99
    methyl acetate 492.71
    THF 940.87
    2-butanone 531.86
    n-pentanol 176.89
    sec-butanol 206.08
    n-hexane 55.94
    ethylene glycol 213.7
    NMP 883.31
    cyclohexane 78.93
    DMSO 1637.63
    n-butyl acetate 203.83
    n-octanol 150.74
    chloroform 981.8
    n-propyl acetate 309.12
    acetic acid 435.74
    dichloromethane 1252.92
    cyclohexanone 583.52
    propylene glycol 162.03
    isopropyl acetate 224.78
    DMAc 798.57
    2-ethoxyethanol 396.79
    isopentanol 178.9
    n-heptane 48.5
    ethyl formate 312.88
    1,2-dichloroethane 786.86
    n-hexanol 139.72
    2-methoxyethanol 579.29
    isobutyl acetate 202.75
    tetrachloromethane 173.66
    n-pentyl acetate 178.85
    transcutol 813.68
    n-heptanol 102.57
    ethylbenzene 126.8
    MIBK 235.86
    2-propoxyethanol 319.12
    tert-butanol 255.76
    MTBE 267.98
    2-butoxyethanol 214.98
    propionic acid 331.73
    o-xylene 129.86
    formic acid 177.22
    diethyl ether 343.64
    m-xylene 120.38
    p-xylene 178.68
    chlorobenzene 304.78
    dimethyl carbonate 284.69
    n-octane 33.33
    formamide 377.93
    cyclopentanone 843.76
    2-pentanone 385.63
    anisole 309.29
    cyclopentyl methyl ether 378.71
    gamma-butyrolactone 848.67
    1-methoxy-2-propanol 416.48
    pyridine 567.29
    3-pentanone 341.29
    furfural 683.94
    n-dodecane 33.59
    diethylene glycol 336.27
    diisopropyl ether 122.63
    tert-amyl alcohol 215.12
    acetylacetone 513.07
    n-hexadecane 37.57
    acetophenone 284.09
    methyl propionate 385.1
    isopentyl acetate 178.45
    trichloroethylene 1172.82
    n-nonanol 129.88
    cyclohexanol 224.91
    benzyl alcohol 218.86
    2-ethylhexanol 112.11
    isooctanol 96.63
    dipropyl ether 188.7
    1,2-dichlorobenzene 289.56
    ethyl lactate 174.99
    propylene carbonate 406.74
    n-methylformamide 562.58
    2-pentanol 153.87
    n-pentane 48.21
    1-propoxy-2-propanol 215.0
    1-methoxy-2-propyl acetate 213.15
    2-(2-methoxypropoxy) propanol 234.1
    mesitylene 91.74
    ε-caprolactone 454.12
    p-cymene 83.22
    epichlorohydrin 928.08
    1,1,1-trichloroethane 566.25
    2-aminoethanol 236.68
    morpholine-4-carbaldehyde 799.44
    sulfolane 1080.26
    2,2,4-trimethylpentane 35.08
    2-methyltetrahydrofuran 579.63
    n-hexyl acetate 268.74
    isooctane 28.36
    2-(2-butoxyethoxy)ethanol 306.29
    sec-butyl acetate 191.53
    tert-butyl acetate 242.44
    decalin 51.76
    glycerin 267.16
    diglyme 619.78
    acrylic acid 354.21
    isopropyl myristate 128.48
    n-butyric acid 329.91
    acetyl acetate 272.25
    di(2-ethylhexyl) phthalate 101.08
    ethyl propionate 273.03
    nitromethane 914.66
    1,2-diethoxyethane 289.29
    benzonitrile 280.29
    trioctyl phosphate 87.78
    1-bromopropane 356.68
    gamma-valerolactone 816.17
    n-decanol 104.97
    triethyl phosphate 117.93
    4-methyl-2-pentanol 108.24
    propionitrile 354.77
    vinylene carbonate 402.45
    1,1,2-trichlorotrifluoroethane 510.5
    DMS 278.9
    cumene 99.29
    2-octanol 96.81
    2-hexanone 305.3
    octyl acetate 153.42
    limonene 111.76
    1,2-dimethoxyethane 730.06
    ethyl orthosilicate 107.18
    tributyl phosphate 106.95
    diacetone alcohol 267.17
    N,N-dimethylaniline 226.87
    acrylonitrile 514.71
    aniline 229.93
    1,3-propanediol 281.33
    bromobenzene 323.58
    dibromomethane 755.65
    1,1,2,2-tetrachloroethane 818.85
    2-methyl-cyclohexyl acetate 153.55
    tetrabutyl urea 146.78
    diisobutyl methanol 87.81
    2-phenylethanol 160.58
    styrene 171.05
    dioctyl adipate 171.79
    dimethyl sulfate 482.36
    ethyl butyrate 192.3
    methyl lactate 238.0
    butyl lactate 138.67
    diethyl carbonate 155.59
    propanediol butyl ether 225.59
    triethyl orthoformate 139.89
    p-tert-butyltoluene 81.68
    methyl 4-tert-butylbenzoate 230.37
    morpholine 698.26
    tert-butylamine 181.01
    n-dodecanol 89.92
    dimethoxymethane 628.0
    ethylene carbonate 324.86
    cyrene 261.06
    2-ethoxyethyl acetate 226.68
    2-ethylhexyl acetate 147.75
    1,2,4-trichlorobenzene 332.52
    4-methylpyridine 454.89
    dibutyl ether 195.91
    2,6-dimethyl-4-heptanol 87.81
    DEF 488.2
    dimethyl isosorbide 343.32
    tetrachloroethylene 550.54
    eugenol 222.64
    triacetin 274.54
    span 80 176.31
    1,4-butanediol 172.42
    1,1-dichloroethane 646.67
    2-methyl-1-pentanol 158.6
    methyl formate 489.8
    2-methyl-1-butanol 176.32
    n-decane 48.42
    butyronitrile 305.45
    3,7-dimethyl-1-octanol 131.99
    1-chlorooctane 143.81
    1-chlorotetradecane 70.82
    n-nonane 49.47
    undecane 39.34
    tert-butylcyclohexane 48.09
    cyclooctane 34.75
    cyclopentanol 314.58
    tetrahydropyran 513.83
    tert-amyl methyl ether 201.97
    2,5,8-trioxanonane 416.47
    1-hexene 140.1
    2-isopropoxyethanol 280.64
    2,2,2-trifluoroethanol 214.43
    methyl butyrate 366.63

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

Botanical

Name CAS Botanical Proportion
Chicory root, roasted 1b 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 0.42%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.03%